MMsINC Database Search


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MMsINC code: MMs00179929

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₂

SMILES:

Clc1ccccc1NC(=O)Cn1cc(c2c1cccc2)C(=O)C1CC1

InChI:

InChI=1/C20H17ClN2O2/c21-16-6-2-3-7-17(16)22-19(24)12-23-11-15(20(25)13-9-10-13)14-5-1-4-8-18(14)23/h1-8,11,13H,9-10,12H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6426 kcal/mol

Physical Properties
Molecular Weight: 352.821 g/mol	logS: -4.91328	SlogP: 4.7925	Reactive groups: 0

Topological Properties
Globularity: 0.10069	Sterimol/B1: 2.6031	Sterimol/B2: 2.96663	Sterimol/B3: 5.18282
Sterimol/B4: 9.12436	Sterimol/L: 16.5909

Surface and Volume Properties
Accessible surface: 612.201	Positive charged surface: 311.402	Negative charged surface: 294.956	Volume: 330.875
Hydrophobic surface: 506.179	Hydrophilic surface: 106.022

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.