MMsINC Database Search


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MMsINC code: MMs00063916

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

OC=1c2c(N(C)C(=O)C=1C(=O)Nc1ccc(cc1C)C)cccc2

InChI:

InChI=1/C19H18N2O3/c1-11-8-9-14(12(2)10-11)20-18(23)16-17(22)13-6-4-5-7-15(13)21(3)19(16)24/h4-10,22H,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.846 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.42369	SlogP: 3.18764	Reactive groups: 0

Topological Properties
Globularity: 0.0209943	Sterimol/B1: 2.51989	Sterimol/B2: 3.70214	Sterimol/B3: 4.31058
Sterimol/B4: 5.23188	Sterimol/L: 17.1923

Surface and Volume Properties
Accessible surface: 552.906	Positive charged surface: 341.158	Negative charged surface: 211.748	Volume: 308.25
Hydrophobic surface: 467.726	Hydrophilic surface: 85.18

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.