MMsINC Database Search


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MMsINC code: MMs00935612

Type: Neutral
Formula: C₁₅H₁₁ClFNO₃

SMILES:

Clc1cccc(F)c1Cn1c2c(occ2)cc1C(OC)=O

InChI:

InChI=1/C15H11ClFNO3/c1-20-15(19)13-7-14-12(5-6-21-14)18(13)8-9-10(16)3-2-4-11(9)17/h2-7H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0871 kcal/mol

Physical Properties
Molecular Weight: 307.708 g/mol	logS: -4.46806	SlogP: 4.1281	Reactive groups: 0

Topological Properties
Globularity: 0.160582	Sterimol/B1: 3.20042	Sterimol/B2: 3.69447	Sterimol/B3: 4.80354
Sterimol/B4: 6.31015	Sterimol/L: 11.9447

Surface and Volume Properties
Accessible surface: 470.68	Positive charged surface: 250.083	Negative charged surface: 220.597	Volume: 261.125
Hydrophobic surface: 407.986	Hydrophilic surface: 62.694

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.