MMsINC Database Search


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MMsINC code: MMs00962909

Type: Neutral
Formula: C₂₂H₁₇ClN₂O₂

SMILES:

Clc1ccc(cc1)CN1c2c(cccc2)C(=O)N(c2cc(ccc2)C)C1=O

InChI:

InChI=1/C22H17ClN2O2/c1-15-5-4-6-18(13-15)25-21(26)19-7-2-3-8-20(19)24(22(25)27)14-16-9-11-17(23)12-10-16/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.105 kcal/mol

Physical Properties
Molecular Weight: 376.843 g/mol	logS: -6.52589	SlogP: 5.70182	Reactive groups: 0

Topological Properties
Globularity: 0.140354	Sterimol/B1: 2.41953	Sterimol/B2: 5.1854	Sterimol/B3: 5.66491
Sterimol/B4: 7.76166	Sterimol/L: 14.1834

Surface and Volume Properties
Accessible surface: 606.819	Positive charged surface: 305.502	Negative charged surface: 301.318	Volume: 348.875
Hydrophobic surface: 551.424	Hydrophilic surface: 55.395

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.