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MMsINC code: MMs00938621

Type: Neutral
Formula: C₂₅H₂₅ClN₂O

SMILES:

Clc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C25H25ClN2O/c1-19-7-9-22(10-8-19)25(29)28-17-15-27(16-18-28)24(20-5-3-2-4-6-20)21-11-13-23(26)14-12-21/h2-14,24H,15-18H2,1H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.601 kcal/mol

Physical Properties
Molecular Weight: 404.941 g/mol	logS: -6.21576	SlogP: 5.29132	Reactive groups: 0

Topological Properties
Globularity: 0.0925869	Sterimol/B1: 3.55641	Sterimol/B2: 4.15334	Sterimol/B3: 5.61372
Sterimol/B4: 6.29652	Sterimol/L: 18.7814

Surface and Volume Properties
Accessible surface: 678.38	Positive charged surface: 386.459	Negative charged surface: 291.922	Volume: 397.875
Hydrophobic surface: 645.754	Hydrophilic surface: 32.626

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00938622
CHEMDIV-ZINC04592810