MMsINC Database Search


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MMsINC code: MMs03540705

Type: Neutral
Formula: C₂₃H₁₄O

SMILES:

OCc1c2c3c4c5c1cccc5ccc4cc1c3c(cc2)ccc1

InChI:

InChI=1/C23H14O/c24-12-19-17-6-2-4-14-7-8-16-11-15-5-1-3-13-9-10-18(19)23(20(13)15)22(16)21(14)17/h1-11,24H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.632 kcal/mol

Physical Properties
Molecular Weight: 306.364 g/mol	logS: -9.4483	SlogP: 6.0869	Reactive groups: 0

Topological Properties
Globularity: 0.0117794	Sterimol/B1: 2.24266	Sterimol/B2: 2.9156	Sterimol/B3: 5.74489
Sterimol/B4: 5.82206	Sterimol/L: 14.2623

Surface and Volume Properties
Accessible surface: 503.7	Positive charged surface: 245.105	Negative charged surface: 203.802	Volume: 296.75
Hydrophobic surface: 445.886	Hydrophilic surface: 57.814

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: 0

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Ions/Tautomers related molecules: no related molecules available.