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MMsINC code: MMs02298653

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

Oc1cc(ccc1)C1NC(Cc2c1[nH]c1c2cccc1)C(OC)=O

InChI:

InChI=1/C19H18N2O3/c1-24-19(23)16-10-14-13-7-2-3-8-15(13)20-18(14)17(21-16)11-5-4-6-12(22)9-11/h2-9,16-17,20-22H,10H2,1H3/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8942 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -3.56619	SlogP: 2.74567	Reactive groups: 0

Topological Properties
Globularity: 0.10971	Sterimol/B1: 2.85555	Sterimol/B2: 3.34677	Sterimol/B3: 4.45569
Sterimol/B4: 9.42907	Sterimol/L: 14.7808

Surface and Volume Properties
Accessible surface: 570.294	Positive charged surface: 370.603	Negative charged surface: 194.109	Volume: 305.875
Hydrophobic surface: 451.165	Hydrophilic surface: 119.129

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02298654
NCID-ZINC01661607