MMsINC Database Search


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MMsINC code: MMs02218126

Type: Neutral
Formula: C₁₄H₁₀O

SMILES:

Oc1c2c(c3c(cc2)cccc3)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7654 kcal/mol

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

Topological Properties
Globularity: 0.0037102	Sterimol/B1: 2.11465	Sterimol/B2: 2.23377	Sterimol/B3: 4.30605
Sterimol/B4: 4.55644	Sterimol/L: 12.094

Surface and Volume Properties
Accessible surface: 390.111	Positive charged surface: 191.857	Negative charged surface: 176.112	Volume: 195.125
Hydrophobic surface: 344.919	Hydrophilic surface: 45.192

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.