MMsINC Database Search


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MMsINC code: MMs02854080

Type: Neutral
Formula: C₁₇H₁₄O₂

SMILES:

O(Cc1c2c(cc3c1cccc3)cccc2)C(=O)C

InChI:

InChI=1/C17H14O2/c1-12(18)19-11-17-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)17/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1564 kcal/mol

Physical Properties
Molecular Weight: 250.297 g/mol	logS: -5.52973	SlogP: 4.3225	Reactive groups: 0

Topological Properties
Globularity: 0.0853365	Sterimol/B1: 2.09584	Sterimol/B2: 4.16626	Sterimol/B3: 6.01423
Sterimol/B4: 6.04571	Sterimol/L: 12.3584

Surface and Volume Properties
Accessible surface: 480.755	Positive charged surface: 248.251	Negative charged surface: 211.152	Volume: 253.25
Hydrophobic surface: 435.725	Hydrophilic surface: 45.03

Pharmacophoric Properties
Hydrogen bond donors: 0	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.