MMsINC Database Search


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MMsINC code: MMs02253290

Type: Neutral
Formula: C₂₄H₂₅ClO

SMILES:

Clc1cc(Cc2cc(C)c(cc2)C)c(O)c(c1)Cc1cc(C)c(cc1)C

InChI:

InChI=1/C24H25ClO/c1-15-5-7-19(9-17(15)3)11-21-13-23(25)14-22(24(21)26)12-20-8-6-16(2)18(4)10-20/h5-10,13-14,26H,11-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6165 kcal/mol

Physical Properties
Molecular Weight: 364.916 g/mol	logS: -7.25876	SlogP: 6.46082	Reactive groups: 0

Topological Properties
Globularity: 0.0812701	Sterimol/B1: 3.50483	Sterimol/B2: 4.07279	Sterimol/B3: 4.92965
Sterimol/B4: 7.98256	Sterimol/L: 17.5738

Surface and Volume Properties
Accessible surface: 655.332	Positive charged surface: 370.005	Negative charged surface: 285.327	Volume: 372.75
Hydrophobic surface: 644.089	Hydrophilic surface: 11.243

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.