MMsINC Database Search


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MMsINC code: MMs00636063

Type: Neutral
Formula: C₁₉H₂₀FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(C1CCCC1)c1ccccc1

InChI:

InChI=1/C19H20FNO/c20-17-12-10-16(11-13-17)19(22)21-18(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,10-13,15,18H,4-5,8-9H2,(H,21,22)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2111 kcal/mol

Physical Properties
Molecular Weight: 297.373 g/mol	logS: -5.25304	SlogP: 4.5825	Reactive groups: 0

Topological Properties
Globularity: 0.134212	Sterimol/B1: 2.47843	Sterimol/B2: 3.31092	Sterimol/B3: 4.21743
Sterimol/B4: 9.53664	Sterimol/L: 14.4201

Surface and Volume Properties
Accessible surface: 547.957	Positive charged surface: 323.577	Negative charged surface: 224.381	Volume: 298.375
Hydrophobic surface: 521.401	Hydrophilic surface: 26.556

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.