MMsINC Database Search


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MMsINC code: MMs00117401

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

OC=1c2c(N(C)C(=O)C=1C(=O)NCc1ccc(cc1)C)cccc2

InChI:

InChI=1/C19H18N2O3/c1-12-7-9-13(10-8-12)11-20-18(23)16-17(22)14-5-3-4-6-15(14)21(2)19(16)24/h3-10,22H,11H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0232 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.20726	SlogP: 2.82332	Reactive groups: 0

Topological Properties
Globularity: 0.0944528	Sterimol/B1: 2.42479	Sterimol/B2: 4.26975	Sterimol/B3: 5.40762
Sterimol/B4: 6.34657	Sterimol/L: 17.1443

Surface and Volume Properties
Accessible surface: 578.859	Positive charged surface: 353.447	Negative charged surface: 225.412	Volume: 310.75
Hydrophobic surface: 468.614	Hydrophilic surface: 110.245

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.