MMsINC Database Search


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MMsINC code: MMs02347019

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O=C(Nc1ccc(cc1)Cc1ccc(NC(=O)\C=C(/O)\C)cc1)C

InChI:

InChI=1/C19H20N2O3/c1-13(22)11-19(24)21-18-9-5-16(6-10-18)12-15-3-7-17(8-4-15)20-14(2)23/h3-11,22H,12H2,1-2H3,(H,20,23)(H,21,24)/b13-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1391 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.10006	SlogP: 3.63607	Reactive groups: 0

Topological Properties
Globularity: 0.062224	Sterimol/B1: 3.02928	Sterimol/B2: 3.15843	Sterimol/B3: 4.13591
Sterimol/B4: 6.78169	Sterimol/L: 20.0023

Surface and Volume Properties
Accessible surface: 615.394	Positive charged surface: 365.728	Negative charged surface: 249.665	Volume: 316.5
Hydrophobic surface: 489.989	Hydrophilic surface: 125.405

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02347020 NCID-ZINC01722570	MMs02347022 NCID-ZINC01722570	MMs02347023 NCID-ZINC01722570
MMs02347021 NCID-ZINC01722570