MMsINC Database Search


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MMsINC code: MMs02298578

Type: Neutral
Formula: C₁₄H₁₀O

SMILES:

Oc1c2c(cc3c(c2)cccc3)ccc1

InChI:

InChI=1/C14H10O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7068 kcal/mol

Physical Properties
Molecular Weight: 194.233 g/mol	logS: -4.77869	SlogP: 3.6986	Reactive groups: 0

Topological Properties
Globularity: 0.00322803	Sterimol/B1: 2.11208	Sterimol/B2: 2.23045	Sterimol/B3: 3.67736
Sterimol/B4: 4.83219	Sterimol/L: 12.1994

Surface and Volume Properties
Accessible surface: 400.546	Positive charged surface: 200.215	Negative charged surface: 178.189	Volume: 193.75
Hydrophobic surface: 355.315	Hydrophilic surface: 45.231

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.