MMsINC Database Search


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MMsINC code: MMs02991583

Type: Neutral
Formula: C₁₅H₁₄ClN₃O₃

SMILES:

Clc1cc(C)c(NC(=O)NNC(=O)c2ccccc2O)cc1

InChI:

InChI=1/C15H14ClN3O3/c1-9-8-10(16)6-7-12(9)17-15(22)19-18-14(21)11-4-2-3-5-13(11)20/h2-8,20H,1H3,(H,18,21)(H2,17,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3259 kcal/mol

Physical Properties
Molecular Weight: 319.748 g/mol	logS: -4.01339	SlogP: 2.82052	Reactive groups: 0

Topological Properties
Globularity: 0.0177376	Sterimol/B1: 2.1551	Sterimol/B2: 2.43177	Sterimol/B3: 3.46752
Sterimol/B4: 6.52002	Sterimol/L: 17.6117

Surface and Volume Properties
Accessible surface: 544.116	Positive charged surface: 267.973	Negative charged surface: 276.143	Volume: 278.5
Hydrophobic surface: 397.888	Hydrophilic surface: 146.228

Pharmacophoric Properties
Hydrogen bond donors: 4	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.