MMsINC Database Search


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MMsINC code: MMs02380296

Type: Neutral
Formula: C₁₄H₁₀O

SMILES:

Oc1c2c3c(ccc2ccc1)cccc3

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4897 kcal/mol

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

Topological Properties
Globularity: 0.00417042	Sterimol/B1: 2.15516	Sterimol/B2: 2.16555	Sterimol/B3: 4.14038
Sterimol/B4: 4.90655	Sterimol/L: 12.1341

Surface and Volume Properties
Accessible surface: 385.568	Positive charged surface: 191.692	Negative charged surface: 171.734	Volume: 194
Hydrophobic surface: 350.203	Hydrophilic surface: 35.365

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.