MMsINC Database Search


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MMsINC code: MMs02374690

Type: Neutral
Formula: C₂₃H₁₅ClN₂O

SMILES:

Clc1[nH]c2c(cccc2)c1\C=C\1/c2c(N(C/1=O)c1ccccc1)cccc2

InChI:

InChI=1/C23H15ClN2O/c24-22-18(16-10-4-6-12-20(16)25-22)14-19-17-11-5-7-13-21(17)26(23(19)27)15-8-2-1-3-9-15/h1-14,25H/b19-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.322 kcal/mol

Physical Properties
Molecular Weight: 370.839 g/mol	logS: -7.046	SlogP: 6.0402	Reactive groups: 0

Topological Properties
Globularity: 0.0830825	Sterimol/B1: 2.27458	Sterimol/B2: 3.29056	Sterimol/B3: 5.22378
Sterimol/B4: 9.75791	Sterimol/L: 15.5245

Surface and Volume Properties
Accessible surface: 607.447	Positive charged surface: 299.301	Negative charged surface: 303.535	Volume: 346.5
Hydrophobic surface: 571.556	Hydrophilic surface: 35.891

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.