MMsINC Database Search


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MMsINC code: MMs00803351

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃

SMILES:

Clc1cccc(NC(=O)CNC(=O)c2oc(cc2)C)c1C

InChI:

InChI=1/C15H15ClN2O3/c1-9-6-7-13(21-9)15(20)17-8-14(19)18-12-5-3-4-11(16)10(12)2/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2584 kcal/mol

Physical Properties
Molecular Weight: 306.749 g/mol	logS: -4.48716	SlogP: 2.91834	Reactive groups: 0

Topological Properties
Globularity: 0.0166505	Sterimol/B1: 2.55982	Sterimol/B2: 2.82576	Sterimol/B3: 3.29641
Sterimol/B4: 6.50318	Sterimol/L: 17.8102

Surface and Volume Properties
Accessible surface: 555.798	Positive charged surface: 298.614	Negative charged surface: 257.184	Volume: 277.25
Hydrophobic surface: 458.694	Hydrophilic surface: 97.104

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.