MMsINC Database Search


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MMsINC code: MMs00588239

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₃

SMILES:

Clc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C14H11ClN2O3/c1-9-3-2-4-10(7-9)16-14(18)12-8-11(17(19)20)5-6-13(12)15/h2-8H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8257 kcal/mol

Physical Properties
Molecular Weight: 290.706 g/mol	logS: -5.35331	SlogP: 3.80892	Reactive groups: 0

Topological Properties
Globularity: 0.0240128	Sterimol/B1: 2.38419	Sterimol/B2: 3.36344	Sterimol/B3: 3.44238
Sterimol/B4: 6.78203	Sterimol/L: 14.7028

Surface and Volume Properties
Accessible surface: 489.213	Positive charged surface: 210.52	Negative charged surface: 278.693	Volume: 251.25
Hydrophobic surface: 379.77	Hydrophilic surface: 109.443

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.