MMsINC Database Search


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MMsINC code: MMs00915027

Type: Neutral
Formula: C₂₄H₂₆ClNO₂

SMILES:

Clc1ccccc1OCCCn1cc(c2c1cccc2)C(=O)C1CCCCC1

InChI:

InChI=1/C24H26ClNO2/c25-21-12-5-7-14-23(21)28-16-8-15-26-17-20(19-11-4-6-13-22(19)26)24(27)18-9-2-1-3-10-18/h4-7,11-14,17-18H,1-3,8-10,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4295 kcal/mol

Physical Properties
Molecular Weight: 395.93 g/mol	logS: -6.509	SlogP: 6.7932	Reactive groups: 0

Topological Properties
Globularity: 0.0572614	Sterimol/B1: 2.40677	Sterimol/B2: 4.25914	Sterimol/B3: 4.53507
Sterimol/B4: 10.4567	Sterimol/L: 18.8533

Surface and Volume Properties
Accessible surface: 698.734	Positive charged surface: 412.863	Negative charged surface: 280.027	Volume: 392
Hydrophobic surface: 669.114	Hydrophilic surface: 29.62

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.