MMsINC Database Search


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MMsINC code: MMs01147774

Type: Neutral
Formula: C₂₅H₂₃ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)N(Cc1n(ccc1)Cc1ccc(cc1)C)Cc1occc1

InChI:

InChI=1/C25H23ClN2O2/c1-19-6-8-20(9-7-19)16-27-14-2-4-23(27)17-28(18-24-5-3-15-30-24)25(29)21-10-12-22(26)13-11-21/h2-15H,16-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.358 kcal/mol

Physical Properties
Molecular Weight: 418.924 g/mol	logS: -6.17865	SlogP: 6.73302	Reactive groups: 0

Topological Properties
Globularity: 0.197262	Sterimol/B1: 2.26702	Sterimol/B2: 3.63098	Sterimol/B3: 6.00002
Sterimol/B4: 8.18188	Sterimol/L: 16.8524

Surface and Volume Properties
Accessible surface: 638.911	Positive charged surface: 344.711	Negative charged surface: 294.199	Volume: 404.25
Hydrophobic surface: 570.601	Hydrophilic surface: 68.31

Pharmacophoric Properties
Hydrogen bond donors: 0	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.