MMsINC Database Search


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MMsINC code: MMs01311546

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)N(C)C

InChI:

InChI=1/C19H18N2O2/c1-21(2)19(22)16-12-18(13-8-10-14(23-3)11-9-13)20-17-7-5-4-6-15(16)17/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.782 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.45912	SlogP: 3.6122	Reactive groups: 0

Topological Properties
Globularity: 0.0273429	Sterimol/B1: 2.33629	Sterimol/B2: 2.8724	Sterimol/B3: 3.49575
Sterimol/B4: 9.86714	Sterimol/L: 16.0151

Surface and Volume Properties
Accessible surface: 552.853	Positive charged surface: 376.177	Negative charged surface: 166.477	Volume: 303.125
Hydrophobic surface: 497.013	Hydrophilic surface: 55.84

Pharmacophoric Properties
Hydrogen bond donors: 0	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.