MMsINC Database Search


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MMsINC code: MMs02150715

Type: Neutral
Formula: C₁₉H₁₈ClN₃O₂

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)Nc1ccc(N2CCOCC2)cc1

InChI:

InChI=1/C19H18ClN3O2/c20-14-1-6-17-13(11-14)12-18(22-17)19(24)21-15-2-4-16(5-3-15)23-7-9-25-10-8-23/h1-6,11-12,22H,7-10H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.741 kcal/mol

Physical Properties
Molecular Weight: 355.825 g/mol	logS: -4.75087	SlogP: 3.9102	Reactive groups: 0

Topological Properties
Globularity: 0.0217066	Sterimol/B1: 2.68674	Sterimol/B2: 3.09724	Sterimol/B3: 3.19164
Sterimol/B4: 4.81878	Sterimol/L: 20.4739

Surface and Volume Properties
Accessible surface: 603.171	Positive charged surface: 350.15	Negative charged surface: 247.594	Volume: 325.375
Hydrophobic surface: 513.473	Hydrophilic surface: 89.698

Pharmacophoric Properties
Hydrogen bond donors: 2	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.