MMsINC Database Search


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MMsINC code: MMs01133037

Type: Neutral
Formula: C₂₆H₂₃ClN₂O

SMILES:

Clc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCc1ccccc1)-c1ccccc1C

InChI:

InChI=1/C26H23ClN2O/c1-18-8-6-7-11-24(18)29-19(2)23(16-25(29)21-12-14-22(27)15-13-21)26(30)28-17-20-9-4-3-5-10-20/h3-16H,17H2,1-2H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.668 kcal/mol

Physical Properties
Molecular Weight: 414.936 g/mol	logS: -7.06333	SlogP: 6.61094	Reactive groups: 0

Topological Properties
Globularity: 0.081366	Sterimol/B1: 2.2166	Sterimol/B2: 4.15279	Sterimol/B3: 6.19567
Sterimol/B4: 8.83441	Sterimol/L: 17.9598

Surface and Volume Properties
Accessible surface: 695.689	Positive charged surface: 361.878	Negative charged surface: 333.811	Volume: 407.5
Hydrophobic surface: 650.638	Hydrophilic surface: 45.051

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: 1

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Ions/Tautomers related molecules: no related molecules available.