MMsINC Database Search


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MMsINC code: MMs02401731

Type: Neutral
Formula: C₂₇H₂₂O

SMILES:

O(C(c1cc2Cc3c(-c2cc1)cccc3)(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C27H22O/c1-28-27(22-11-4-2-5-12-22,23-13-6-3-7-14-23)24-16-17-26-21(19-24)18-20-10-8-9-15-25(20)26/h2-17,19H,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.133 kcal/mol

Physical Properties
Molecular Weight: 362.472 g/mol	logS: -7.93414	SlogP: 6.50757	Reactive groups: 0

Topological Properties
Globularity: 0.172906	Sterimol/B1: 2.56047	Sterimol/B2: 4.93568	Sterimol/B3: 6.8444
Sterimol/B4: 7.04175	Sterimol/L: 16.0297

Surface and Volume Properties
Accessible surface: 616.014	Positive charged surface: 374.06	Negative charged surface: 231.552	Volume: 373
Hydrophobic surface: 613.797	Hydrophilic surface: 2.217

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: 0

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Ions/Tautomers related molecules: no related molecules available.