MMsINC Database Search


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MMsINC code: MMs01632899

Type: Neutral
Formula: C₁₉H₁₈ClFN₂O₂

SMILES:

Clc1cc(F)c(NC(=O)C2CC(=O)N(C2)Cc2ccc(cc2)C)cc1

InChI:

InChI=1/C19H18ClFN2O2/c1-12-2-4-13(5-3-12)10-23-11-14(8-18(23)24)19(25)22-17-7-6-15(20)9-16(17)21/h2-7,9,14H,8,10-11H2,1H3,(H,22,25)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2668 kcal/mol

Physical Properties
Molecular Weight: 360.816 g/mol	logS: -4.71188	SlogP: 4.04112	Reactive groups: 0

Topological Properties
Globularity: 0.0910894	Sterimol/B1: 2.53541	Sterimol/B2: 2.82488	Sterimol/B3: 4.50509
Sterimol/B4: 7.40832	Sterimol/L: 17.5535

Surface and Volume Properties
Accessible surface: 607.349	Positive charged surface: 326.375	Negative charged surface: 280.974	Volume: 328.75
Hydrophobic surface: 530.226	Hydrophilic surface: 77.123

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.