MMsINC Database Search


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MMsINC code: MMs00429013

Type: Neutral
Formula: C₁₉H₁₈ClFN₂O₃

SMILES:

Clc1cccc(F)c1CN1c2c(cccc2)C(=O)N(CCCOC)C1=O

InChI:

InChI=1/C19H18ClFN2O3/c1-26-11-5-10-22-18(24)13-6-2-3-9-17(13)23(19(22)25)12-14-15(20)7-4-8-16(14)21/h2-4,6-9H,5,10-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4717 kcal/mol

Physical Properties
Molecular Weight: 376.815 g/mol	logS: -4.8675	SlogP: 4.3644	Reactive groups: 0

Topological Properties
Globularity: 0.117356	Sterimol/B1: 2.86016	Sterimol/B2: 5.15023	Sterimol/B3: 5.75257
Sterimol/B4: 6.52645	Sterimol/L: 14.7854

Surface and Volume Properties
Accessible surface: 590.301	Positive charged surface: 373.173	Negative charged surface: 217.128	Volume: 333.75
Hydrophobic surface: 528.771	Hydrophilic surface: 61.53

Pharmacophoric Properties
Hydrogen bond donors: 0	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.