MMsINC Database Search


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MMsINC code: MMs01271549

Type: Neutral
Formula: C₁₇H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)C1NC(=O)N(Cc2ccc(cc2)C)C1=O

InChI:

InChI=1/C17H15FN2O2/c1-11-2-4-12(5-3-11)10-20-16(21)15(19-17(20)22)13-6-8-14(18)9-7-13/h2-9,15H,10H2,1H3,(H,19,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.6188 kcal/mol

Physical Properties
Molecular Weight: 298.317 g/mol	logS: -4.33919	SlogP: 3.28912	Reactive groups: 0

Topological Properties
Globularity: 0.0627835	Sterimol/B1: 2.91204	Sterimol/B2: 3.01885	Sterimol/B3: 4.338
Sterimol/B4: 5.29931	Sterimol/L: 16.9169

Surface and Volume Properties
Accessible surface: 524.456	Positive charged surface: 285.995	Negative charged surface: 238.461	Volume: 277.625
Hydrophobic surface: 428.375	Hydrophilic surface: 96.081

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.