MMsINC Database Search


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MMsINC code: MMs01018140

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1cc2c(N(Cc3cc(OC)ccc3)C(=O)CN=C2c2ccccc2)cc1

InChI:

InChI=1/C23H19ClN2O2/c1-28-19-9-5-6-16(12-19)15-26-21-11-10-18(24)13-20(21)23(25-14-22(26)27)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.836 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -6.34997	SlogP: 4.9992	Reactive groups: 0

Topological Properties
Globularity: 0.328182	Sterimol/B1: 4.54456	Sterimol/B2: 4.82835	Sterimol/B3: 5.37824
Sterimol/B4: 7.35399	Sterimol/L: 14.2364

Surface and Volume Properties
Accessible surface: 616.539	Positive charged surface: 362.26	Negative charged surface: 254.279	Volume: 366.125
Hydrophobic surface: 560.596	Hydrophilic surface: 55.943

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.