MMsINC Database Search


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MMsINC code: MMs02493877

Type: Neutral
Formula: C₂₇H₂₄O

SMILES:

O(C(c1ccccc1)(c1ccccc1)c1ccccc1)CCc1ccccc1

InChI:

InChI=1/C27H24O/c1-5-13-23(14-6-1)21-22-28-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.199 kcal/mol

Physical Properties
Molecular Weight: 364.488 g/mol	logS: -6.86625	SlogP: 6.54927	Reactive groups: 0

Topological Properties
Globularity: 0.282714	Sterimol/B1: 4.9571	Sterimol/B2: 5.09077	Sterimol/B3: 5.39654
Sterimol/B4: 6.3083	Sterimol/L: 16.0564

Surface and Volume Properties
Accessible surface: 647.694	Positive charged surface: 367.193	Negative charged surface: 280.501	Volume: 386.25
Hydrophobic surface: 647.485	Hydrophilic surface: 0.20899999999995

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.