MMsINC Database Search


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MMsINC code: MMs02293097

Type: Neutral
Formula: C₂₅H₂₀O

SMILES:

O=C(c1ccccc1Cc1c2c(ccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C25H20O/c1-18-13-15-20(16-14-18)25(26)24-12-5-3-8-22(24)17-21-10-6-9-19-7-2-4-11-23(19)21/h2-16H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.557 kcal/mol

Physical Properties
Molecular Weight: 336.434 g/mol	logS: -7.92587	SlogP: 5.96999	Reactive groups: 0

Topological Properties
Globularity: 0.152995	Sterimol/B1: 2.3715	Sterimol/B2: 3.92993	Sterimol/B3: 5.74964
Sterimol/B4: 7.06745	Sterimol/L: 16.3105

Surface and Volume Properties
Accessible surface: 589.043	Positive charged surface: 317.099	Negative charged surface: 262.519	Volume: 348.375
Hydrophobic surface: 568.952	Hydrophilic surface: 20.091

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.