MMsINC Database Search


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MMsINC code: MMs00963020

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1cc(ccc1)CN1c2c(cccc2)C(=O)N(c2ccc(cc2)CC)C1=O

InChI:

InChI=1/C23H19ClN2O2/c1-2-16-10-12-19(13-11-16)26-22(27)20-8-3-4-9-21(20)25(23(26)28)15-17-6-5-7-18(24)14-17/h3-14H,2,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5586 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -7.04111	SlogP: 5.95577	Reactive groups: 0

Topological Properties
Globularity: 0.0787863	Sterimol/B1: 3.64961	Sterimol/B2: 3.84868	Sterimol/B3: 4.83009
Sterimol/B4: 7.40034	Sterimol/L: 17.1191

Surface and Volume Properties
Accessible surface: 639.383	Positive charged surface: 336.599	Negative charged surface: 302.784	Volume: 366.125
Hydrophobic surface: 556.372	Hydrophilic surface: 83.011

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.