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MMsINC code: MMs02268152

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C1NC(=O)CC1c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C18H14N2O2/c21-15-10-13(18(22)20-15)16-12-8-4-5-9-14(12)19-17(16)11-6-2-1-3-7-11/h1-9,13,19H,10H2,(H,20,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5197 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -4.57019	SlogP: 2.965	Reactive groups: 0

Topological Properties
Globularity: 0.102811	Sterimol/B1: 3.53062	Sterimol/B2: 3.90874	Sterimol/B3: 5.36372
Sterimol/B4: 5.58878	Sterimol/L: 13.8262

Surface and Volume Properties
Accessible surface: 503.827	Positive charged surface: 256.377	Negative charged surface: 244.544	Volume: 274.25
Hydrophobic surface: 368.359	Hydrophilic surface: 135.468

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.