MMsINC Database Search


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MMsINC code: MMs02702999

Type: Neutral
Formula: C₁₅H₁₄ClN

SMILES:

Clc1cc(N2Cc3c(C2)cccc3)c(cc1)C

InChI:

InChI=1/C15H14ClN/c1-11-6-7-14(16)8-15(11)17-9-12-4-2-3-5-13(12)10-17/h2-8H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.437 kcal/mol

Physical Properties
Molecular Weight: 243.737 g/mol	logS: -4.09735	SlogP: 4.70142	Reactive groups: 0

Topological Properties
Globularity: 0.133341	Sterimol/B1: 1.969	Sterimol/B2: 3.77914	Sterimol/B3: 4.09132
Sterimol/B4: 8.01468	Sterimol/L: 13.3136

Surface and Volume Properties
Accessible surface: 458.478	Positive charged surface: 243.914	Negative charged surface: 214.564	Volume: 240.25
Hydrophobic surface: 446.816	Hydrophilic surface: 11.662

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