MMsINC Database Search


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MMsINC code: MMs03523382

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

Oc1c2c(c3c(c1)C(=O)CC3)c(cc1c2cccc1)C

InChI:

InChI=1/C18H14O2/c1-10-8-11-4-2-3-5-12(11)18-16(20)9-14-13(17(10)18)6-7-15(14)19/h2-5,8-9,20H,6-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.134 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.62331	SlogP: 4.13589	Reactive groups: 0

Topological Properties
Globularity: 0.0180812	Sterimol/B1: 2.35944	Sterimol/B2: 2.39131	Sterimol/B3: 2.49809
Sterimol/B4: 7.69412	Sterimol/L: 13.469

Surface and Volume Properties
Accessible surface: 454.756	Positive charged surface: 246.997	Negative charged surface: 187.458	Volume: 252.5
Hydrophobic surface: 372.507	Hydrophilic surface: 82.249

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.