MMsINC Database Search


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MMsINC code: MMs02023342

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C(C(=O)N(CC)c1ccccc1C)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H18N2O2/c1-3-21(17-11-7-4-8-13(17)2)19(23)18(22)15-12-20-16-10-6-5-9-14(15)16/h4-12,20H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.443 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.35781	SlogP: 3.71212	Reactive groups: 0

Topological Properties
Globularity: 0.113124	Sterimol/B1: 2.19187	Sterimol/B2: 3.99914	Sterimol/B3: 4.393
Sterimol/B4: 7.98787	Sterimol/L: 14.0272

Surface and Volume Properties
Accessible surface: 534.872	Positive charged surface: 311.328	Negative charged surface: 217.858	Volume: 302.875
Hydrophobic surface: 443.3	Hydrophilic surface: 91.572

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.