MMsINC Database Search


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MMsINC code: MMs00835205

Type: Neutral
Formula: C₁₄H₁₄ClNO₄

SMILES:

Clc1cc(OC)c(NC(=O)c2ccoc2C)cc1OC

InChI:

InChI=1/C14H14ClNO4/c1-8-9(4-5-20-8)14(17)16-11-7-12(18-2)10(15)6-13(11)19-3/h4-7H,1-3H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6627 kcal/mol

Physical Properties
Molecular Weight: 295.722 g/mol	logS: -4.10196	SlogP: 3.51092	Reactive groups: 0

Topological Properties
Globularity: 0.0465133	Sterimol/B1: 2.56959	Sterimol/B2: 3.79567	Sterimol/B3: 4.76551
Sterimol/B4: 7.38955	Sterimol/L: 13.9162

Surface and Volume Properties
Accessible surface: 517.701	Positive charged surface: 312.167	Negative charged surface: 205.534	Volume: 264.875
Hydrophobic surface: 468.042	Hydrophilic surface: 49.659

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.